SCHEMBL20533784

SCHEMBL20533784

C=CC(=O)Oc1cc(F)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.43
THRB P10828 3/20 0.38
THRA P10827 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TGM2 P21980 1/20 0.35
HDAC1 Q13547 3/20 0.34
TYMS P04818 1/20 0.34
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
FADS1 O60427 1/20 0.32
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.31
RELA Q04206 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27766549 0.83 THRB (0.39) THRBTHRAALDH1A1TYMSTSHR
SCHEMBL23568199 0.83 ALDH1A1 (0.46) THRBTHRAALDH1A1HDAC1TYMS
SCHEMBL10180753 0.83 CES2 (0.41) THRBTHRATGM2TYMSTSHR
SCHEMBL27557556 0.81 THRB (0.36) THRBTHRAALDH1A1TYMSRELA
SCHEMBL28971707 0.80 KDM4E (0.43) THRBTHRATGM2TYMSPOLB
SCHEMBL28750112 0.80 FFAR1 (0.43) THRBTHRATGM2TYMSTSHR
SCHEMBL28528040 0.80 ALDH1A1 (0.44) ALDH1A1TGM2CES2PKM
SCHEMBL7417795 0.79 TSHR (0.49) THRBTHRATGM2TYMSTSHR
SCHEMBL3291662 0.79 THRB (0.49) THRBTHRAALDH1A1TYMSTSHR
SCHEMBL27427445 0.79 KEAP1 (0.48) KEAP1ALDH1A1HDAC1FADS1CES2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919839-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors VALO HEALTH, INC. (US) 2024-03-05 US disclosed
US-10988441-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-04-27 US disclosed
US-20200331847-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS VALO HEALTH, INC. 2020-10-22 US disclosed
US-10266487-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-04-23 US disclosed
US-20180297939-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS Valo Health, LLC 2018-10-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200331847-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS HDAC8, HDAC7, HDAC1 KEAP1 374/4885THRB 2435/4885THRA 1966/4885
US-10988441-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors HDAC8, HDAC7, HDAC1 KEAP1 374/4885THRB 2435/4885THRA 1966/4885
US-10266487-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors HDAC8, HDAC7, HDAC1 KEAP1 374/4885THRB 2435/4885THRA 1966/4885
US-11919839-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors HDAC8, HDAC7, HDAC1 KEAP1 374/4885THRB 2435/4885THRA 1966/4885
US-20180297939-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS HDAC8, HDAC7, HDAC1 KEAP1 374/4885THRB 2435/4885THRA 1966/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.